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(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-5-oxidanylidene-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2

Systemtic Name:	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-5-oxidanylidene-pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2
Openeye Name:	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-5-oxo-pentanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]pentanediamide
CAS Name:	(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1,5-dioxopentyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
IUPAC Name:	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-5-oxopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
Traditional Name:	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]prolyl]amino]hexanoyl]prolyl]amino]-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-5-keto-pentanoyl]amino]-N-[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]glutaramide
Formula:	C₇₃H₁₂₁N₂₁O₁₃S
MolecularWeight:	1532.93974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)NCCCNCCCCNCCCN)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)NCCCNCCCCNCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C73H121N21O13S/c1-47(2)43-55(67(102)87-51(63(78)98)31-42-108-3)86-62(97)46-85-64(99)56(44-48-19-6-4-7-20-48)91-68(103)57(45-49-21-8-5-9-22-49)92-66(101)52(27-29-60(77)95)88-65(100)53(28-30-61(96)83-39-18-37-82-35-13-12-34-81-36-17-33-75)89-69(104)59-26-16-41-94(59)72(107)54(24-10-11-32-74)90-70(105)58-25-15-40-93(58)71(106)50(76)23-14-38-84-73(79)80/h4-9,19-22,47,50-59,81-82H,10-18,23-46,74-76H2,1-3H3,(H2,77,95)(H2,78,98)(H,83,96)(H,85,99)(H,86,97)(H,87,102)(H,88,100)(H,89,104)(H,90,105)(H,91,103)(H,92,101)(H4,79,80,84)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

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