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(3S)-3-azanyl-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amin

Systemtic Name:	(3S)-3-azanyl-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amin
Openeye Name:	(3S)-3-amino-4-[[(1S)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-butanoic acid
CAS Name:	(3S)-3-amino-4-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	(3S)-3-amino-4-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	(3S)-3-amino-4-[[(1S)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-(carboxymethylcarbamoyl)-2-methyl-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-4-keto-butyric acid
Formula:	C₅₆H₉₁N₁₇O₂₁
MolecularWeight:	1338.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C56H91N17O21/c1-26(2)15-34(49(88)62-19-39(78)61-20-40(79)67-37(24-74)53(92)73-45(28(5)6)54(93)65-23-44(84)85)69-51(90)35(16-27(3)4)70-52(91)38(25-75)71-55(94)46(29(7)76)72-42(81)22-64-50(89)36(17-30-10-12-31(77)13-11-30)66-41(80)21-63-48(87)33(9-8-14-60-56(58)59)68-47(86)32(57)18-43(82)83/h10-13,26-29,32-38,45-46,74-77H,8-9,14-25,57H2,1-7H3,(H,61,78)(H,62,88)(H,63,87)(H,64,89)(H,65,93)(H,66,80)(H,67,79)(H,68,86)(H,69,90)(H,70,91)(H,71,94)(H,72,81)(H,73,92)(H,82,83)(H,84,85)(H4,58,59,60)/t29-,32+,33+,34+,35+,36+,37+,38+,45+,46+/m1/s1

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