(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]butanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-1-[(2S)-2,6-bis(azanyl)hexanoyl]pyrrolidin-2-yl]carbonylamino]butanediamide Openeye Name: (2S)-N-[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]butanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[[(2S)-1-[(2S)-2,6-diamino-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]butanediamide Traditional Name: (2S)-N-[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]prolyl]amino]succinamide Formula: C45H69N13O8 MolecularWeight: 920.11166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N

InChI

InChI=1S/C45H69N13O8/c1-3-27(2)37(43(65)53-31(19-12-22-52-45(50)51)39(61)54-32(38(49)60)24-28-14-6-4-7-15-28)57-41(63)33(25-29-16-8-5-9-17-29)55-40(62)34(26-36(48)59)56-42(64)35-20-13-23-58(35)44(66)30(47)18-10-11-21-46/h4-9,14-17,27,30-35,37H,3,10-13,18-26,46-47H2,1-2H3,(H2,48,59)(H2,49,60)(H,53,65)(H,54,61)(H,55,62)(H,56,64)(H,57,63)(H4,50,51,52)/t27-,30-,31-,32-,33-,34-,35-,37-/m0/s1